2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]glutaric acid Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CS)C(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CS)C(=O)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C19H24N4O6S/c20-12(7-10-8-21-13-4-2-1-3-11(10)13)17(26)23-15(9-30)18(27)22-14(19(28)29)5-6-16(24)25/h1-4,8,12,14-15,21,30H,5-7,9,20H2,(H,22,27)(H,23,26)(H,24,25)(H,28,29)